N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]propane-1-sulfonamide

C14H24N2O5S2 — CID 113070641

IUPACN-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCN(c1ccc(OCC)cc1)S(C)(=O)=O
InChIInChI=1S/C14H24N2O5S2/c1-4-12-23(19,20)15-10-11-16(22(3,17)18)13-6-8-14(9-7-13)21-5-2/h6-9,15H,4-5,10-12H2,1-3H3
InChIKeyMWOIJHZJBPHUJY-UHFFFAOYSA-N
MW364.49 g/mol
LogP1.18
Rot. Bonds10

About N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]propane-1-sulfonamide

N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]propane-1-sulfonamide (PubChem CID 113070641) has the molecular formula C14H24N2O5S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]propane-1-sulfonamide
PubChem CID113070641
Molecular FormulaC14H24N2O5S2
Molecular Weight364.49 g/mol
Exact Mass364.11
IUPAC NameN-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCN(c1ccc(OCC)cc1)S(C)(=O)=O
InChIInChI=1S/C14H24N2O5S2/c1-4-12-23(19,20)15-10-11-16(22(3,17)18)13-6-8-14(9-7-13)21-5-2/h6-9,15H,4-5,10-12H2,1-3H3
InChIKeyMWOIJHZJBPHUJY-UHFFFAOYSA-N
XLogP1.18
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]propane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]propane-1-sulfonamide
CID 113068747
N-[2-(4-methoxy-N-methylsulfonylanilino)ethyl]ethanesulfonamide
CID 113070529
N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]propanamide
CID 113070592
tert-butyl N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]carbamate
CID 113070634
1-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea
CID 113070637
3-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide
CID 113144856
N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]-2-methoxybenzamide
CID 113070611
N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]ethanesulfonamide
CID 113070587
N-[3-(dimethylamino)propyl]-2-(4-ethoxy-N-methylsulfonylanilino)acetamide
CID 2262311
4-(4-ethoxy-N-methylsulfonylanilino)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 53286770
3-(4-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide
CID 113144896
N-(2,4-dimethylpentan-3-yl)-4-(4-ethoxy-N-methylsulfonylanilino)butanamide
CID 53286903

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]propane-1-sulfonamide (CID 113070641) is N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCN(c1ccc(OCC)cc1)S(C)(=O)=O.
What is the InChIKey of N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]propane-1-sulfonamide?
The InChIKey is MWOIJHZJBPHUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5S2/c1-4-12-23(19,20)15-10-11-16(22(3,17)18)13-6-8-14(9-7-13)21-5-2/h6-9,15H,4-5,10-12H2,1-3H3.
What are the key properties of N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]propane-1-sulfonamide?
N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]propane-1-sulfonamide has a molecular weight of 364.49 g/mol, XLogP of 1.18, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 113070641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).